SCHEMBL2082993

SCHEMBL2082993

CC(C)(N)C1CCN(c2ccc3cc(C(=O)O)c(=O)[nH]c3c2)C1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
SLC16A3 O15427 1/20 0.36
NEK1 Q96PY6 1/20 0.35
PDGFRB P09619 1/20 0.35
FGFR1 P11362 1/20 0.35
KDR P35968 1/20 0.35
NR1H2 P55055 3/20 0.34
SMYD3 Q9H7B4 2/20 0.34
PDE3B Q13370 2/20 0.33
PDE3A Q14432 2/20 0.33
NOTUM Q6P988 3/20 0.33
IP6K1 Q92551 1/20 0.33
NR1H3 Q13133 2/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2082281 0.81 SMYD3 (0.43) KDM4EALDH1A1POLBGAASLC16A3
SCHEMBL2082255 0.81 TOP1 (0.47) KDM4EALDH1A1POLBGAASLC16A3
SCHEMBL9288768 0.78 SLC16A3 (0.41) KDM4EALDH1A1POLBGAASLC16A3
SCHEMBL6621623 0.78 SMYD3 (0.42) KDM4EALDH1A1POLBGAASLC16A3
SCHEMBL2082948 0.78 SMYD3 (0.38) KDM4EALDH1A1POLBGAASLC16A3
SCHEMBL29980141 0.77 SLC16A3 (0.48) KDM4EALDH1A1POLBGAASLC16A3
SCHEMBL9735507 0.77 IP6K1 (0.51) KDM4EALDH1A1POLBGAASLC16A3
SCHEMBL501005 0.76 SLC16A3 (0.38) KDM4EALDH1A1POLBGAASLC16A3
SCHEMBL31422930 0.76 IP6K1 (0.50) KDM4EALDH1A1POLBGAASLC16A3
SCHEMBL9474864 0.75 SLC16A3 (0.49) KDM4EALDH1A1POLBGAASLC16A3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1669354-B1 8-CYANOQUINOLONECARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2013-03-20 EP disclosed
US-7902226-B2 Dehalogeno-compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-03-08 US disclosed
US-7723524-B2 8-cyanoquinolonecarboxylic acid derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-05-25 US disclosed
US-20080255190-A1 8-Cyanoquinolonecarboxylic Acid Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-10-16 US disclosed
EP-1336611-B1 DEHALOGENO COMPOUNDS DAIICHI SEIYAKU CO (JP) 2007-09-05 EP disclosed
US-20070123560-A1 Dehalogeno-compounds DAIICHI PHARMACEUTICAL CO., LTD. 2007-05-31 US disclosed
US-7186843-B2 potent antibacterial activity against various bacteria including drug-resistant strains DAIICHI PHARMACEUTICAL CO. LTD. (JP) 2007-03-06 US disclosed
EP-1669354-A1 8-CYANOQUINOLONECARBOXYLIC ACID DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-06-14 EP disclosed
EP-1134219-B1 CYCLOALKYL-SUBSTITUTED AMINOMETHYLPYRROLIDINE DERIVATIVES DAIICHI SEIYAKU CO (JP) 2005-06-15 EP disclosed
US-20040209940-A1 Aminomethylpyrrolidine derivatives having aromatic substituents DAIICHI PHARMACEUTICAL CO., LTD. 2004-10-21 US disclosed
US-6762181-B1 BROAD ANTIBACTERIAL ACTIVITY INCLUDING DRUG RESISTANT STAPHYLOCOCCUS AUREUS (MRSA), PNEUMOCOCCUS (PRSP) AND ENTEROCOCCUS (VRE); SAFELY USED IN CONJUCTION WITH NONSTEROIDAL ANTIINFLAMMATORY DRUGS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-07-13 US disclosed
EP-1182202-B1 AMINOMETHYLPYRROLIDINE DERIVATIVES HAVING AROMATIC SUBSTITUENTS DAIICHI SEIYAKU CO (JP) 2004-06-02 EP disclosed
US-20040063754-A1 Dehalogeno compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-01 US disclosed
EP-1336611-A1 DEHALOGENO COMPOUNDS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-08-20 EP disclosed
US-6573260-B1 Antibiotics DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-06-03 US disclosed
EP-1304329-A2 Pyridonecarboxylic acid derivatives and their use as antibacterial agents DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-04-23 EP disclosed
EP-1182202-A1 AMINOMETHYLPYRROLIDINE DERIVATIVES HAVING AROMATIC SUBSTITUENTS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2002-02-27 EP disclosed
EP-1134219-A1 CYCLOALKYL-SUBSTITUTED AMINOMETHYLPYRROLIDINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-09-19 EP disclosed
EP-0807630-A1 HETEROCYCLIC COMPOUNDS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1997-11-19 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040063754-A1 Dehalogeno compounds DEK, PGLS, RPS27L KDM4E 2484/4885ALDH1A1 2494/4885POLB 186/4885
US-20040209940-A1 Aminomethylpyrrolidine derivatives having aromatic substituents Q6ZSR9, NAT1, NAT10 KDM4E 744/4885ALDH1A1 861/4885POLB 2509/4885
US-20080255190-A1 8-Cyanoquinolonecarboxylic Acid Derivative QPCT, ASNS, C3AR1 KDM4E 4240/4885ALDH1A1 2947/4885POLB 1682/4885
US-20070123560-A1 Dehalogeno-compounds DEK, RPS27L, POLL KDM4E 2618/4885ALDH1A1 3424/4885POLB 85/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.